2007-02-10 05:40:32 +08:00
|
|
|
<HTML>
|
|
|
|
<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
|
|
|
|
</CENTER>
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
<HR>
|
|
|
|
|
|
|
|
<H3>compute ke/atom command
|
|
|
|
</H3>
|
|
|
|
<P><B>Syntax:</B>
|
|
|
|
</P>
|
|
|
|
<PRE>compute ID group-ID ke/atom
|
|
|
|
</PRE>
|
|
|
|
<UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command
|
|
|
|
<LI>ke/atom = style name of this compute command
|
|
|
|
</UL>
|
|
|
|
<P><B>Examples:</B>
|
|
|
|
</P>
|
|
|
|
<PRE>compute 1 all ke/atom
|
|
|
|
</PRE>
|
|
|
|
<P><B>Description:</B>
|
|
|
|
</P>
|
|
|
|
<P>Define a computation that calculates the per-atom kinetic energy for
|
2007-09-28 07:25:52 +08:00
|
|
|
each atom in a group.
|
2007-02-10 05:40:32 +08:00
|
|
|
</P>
|
|
|
|
<P>The kinetic energy is simply 1/2 m v^2, where m is the mass and v is
|
|
|
|
the velocity of each atom.
|
|
|
|
</P>
|
|
|
|
<P><B>Restrictions:</B> none
|
|
|
|
</P>
|
|
|
|
<P><B>Related commands:</B>
|
|
|
|
</P>
|
|
|
|
<P><A HREF = "dump.html">dump custom</A>
|
|
|
|
</P>
|
|
|
|
<P><B>Default:</B> none
|
|
|
|
</P>
|
|
|
|
</HTML>
|